N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide

C8H13N3O2 — CID 78912839

IUPACN-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC(=O)NC
InChIInChI=1S/C8H13N3O2/c1-3-4-10-5-8(13)11-6-7(12)9-2/h1,10H,4-6H2,2H3,(H,9,12)(H,11,13)
InChIKeyGAZCKHSIYLNLFV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.93
Rot. Bonds5

About N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide

N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 78912839) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID78912839
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC(=O)NC
InChIInChI=1S/C8H13N3O2/c1-3-4-10-5-8(13)11-6-7(12)9-2/h1,10H,4-6H2,2H3,(H,9,12)(H,11,13)
InChIKeyGAZCKHSIYLNLFV-UHFFFAOYSA-N
XLogP-1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
N-(2,2-dimethylbutyl)-2-(prop-2-ynylamino)acetamide
CID 103461480
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263
N-(2-ethoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286728
2-(prop-2-ynylamino)acetic acid
CID 88693817
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
2-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]butanoic acid
CID 79270508
N-(2-methoxyethoxy)-2-(prop-2-ynylamino)acetamide
CID 82723059

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide (CID 78912839) is N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCC(=O)NC.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is GAZCKHSIYLNLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-4-10-5-8(13)11-6-7(12)9-2/h1,10H,4-6H2,2H3,(H,9,12)(H,11,13).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 183.21 g/mol, XLogP of -1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78912839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).